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Home > Nitro Compounds > 72410-90-3
72410-90-3 | 3-benzyl-6-nitro-3,4-dihydro-2h-1,3-benzoxazine
CAS No: 72410-90-3 Catalog No: AG005TJR MDL No:
Product Description
Catalog Number:
AG005TJR
Chemical Name:
3-benzyl-6-nitro-3,4-dihydro-2h-1,3-benzoxazine
CAS Number:
72410-90-3
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
3-benzyl-6-nitro-2,4-dihydro-1,3-benzoxazine
InChI:
InChI=1S/C15H14N2O3/c18-17(19)14-6-7-15-13(8-14)10-16(11-20-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChI Key:
GJNAOJMUSYAAOQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CN(CO2)Cc1ccccc1
NSC Number:
98799
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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